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. 2013 Jul 29;18(8):9049–9060. doi: 10.3390/molecules18089049

Table 1.

Physical properties and 1H-NMR data of marrubiin [31].

Physical properties Value NMR data [37]
Molecular weight 332.43 Inline graphic
* Overlapped signals
Molecular formula C20 H28 O4
CAS Registry Number 465-92-9
Molar volume 288 ± 3.0 cm3/mol(20 °C; 760 Torr)
Density 1.152±0.06 g/cm3(20 °C; 760 Torr)
Melting Point ~155–160 °C
Freely Rotatable Bonds 4
H Acceptors 4
H Donors 1
H Donor/ Acceptor sum 5
LogP 3.796±0.414 (at 25 °C)
[α]D: +45.68° (acetone, 24 °C), +35.8 (CHCl3, 24 °C)